N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide

C10H8N4O4 — CID 135618491

IUPACN-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide
SMILESCC(=O)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]
InChIInChI=1S/C10H8N4O4/c1-5(15)13-8-3-7-6(2-9(8)14(17)18)10(16)12-4-11-7/h2-4H,1H3,(H,13,15)(H,11,12,16)
InChIKeyPYFMVDMOJXSFHV-UHFFFAOYSA-N
MW248.20 g/mol
LogP0.79
Rot. Bonds2

About N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide

N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide (PubChem CID 135618491) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide.

Molecular Properties

Compound NameN-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide
PubChem CID135618491
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC NameN-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide
SMILESCC(=O)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]
InChIInChI=1S/C10H8N4O4/c1-5(15)13-8-3-7-6(2-9(8)14(17)18)10(16)12-4-11-7/h2-4H,1H3,(H,13,15)(H,11,12,16)
InChIKeyPYFMVDMOJXSFHV-UHFFFAOYSA-N
XLogP0.79
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide
CID 137153669
7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one
CID 135932393
7-[(2,2-difluoro-3-hydroxypropyl)amino]-6-nitro-3H-quinazolin-4-one
CID 136785570
6-hydroxy-7-nitro-3H-quinazolin-4-one
CID 135616189
7-(2-ethylsulfinylethylamino)-6-nitro-3H-quinazolin-4-one
CID 137010029
7-[3-(2-hydroxycyclohexyl)propylamino]-6-nitro-3H-quinazolin-4-one
CID 137265030
6-nitro-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137289225
N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide
CID 137262167
7-[(4-methylsulfanylphenyl)methylamino]-6-nitro-3H-quinazolin-4-one
CID 137261833
7-[[4-(dimethylamino)phenyl]methylamino]-6-nitro-3H-quinazolin-4-one
CID 137289228
7-[(4-chlorophenyl)methylamino]-6-nitro-3H-quinazolin-4-one
CID 137289174
7-[(1-methoxycyclobutyl)methylamino]-6-nitro-3H-quinazolin-4-one
CID 137273785

Frequently Asked Questions

What is the IUPAC name of N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide?
The IUPAC name of N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide (CID 135618491) is N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide.
What is the SMILES notation for N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide?
The canonical SMILES for N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide is CC(=O)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-].
What is the InChIKey of N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide?
The InChIKey is PYFMVDMOJXSFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4/c1-5(15)13-8-3-7-6(2-9(8)14(17)18)10(16)12-4-11-7/h2-4H,1H3,(H,13,15)(H,11,12,16).
What are the key properties of N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide?
N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide has a molecular weight of 248.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide is sourced from PubChem (CID 135618491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).